Information card for entry 4347546

Structure parameters

• Common name: {[Zn2(btec)(btzmb)].8H2O}n
• Formula: C24 H30 N10 O16 Zn2
• Calculated formula: C24 H14 N10 O14 Zn2
• Title of publication: Tetrazole-Viologen-based Flexible Microporous Metal-Organic Framework with High CO2 Selective Uptake.
• Authors of publication: Zhao, Ya-Ping; Li, Yan; Cui, Cai-Yan; Xiao, Yu; Li, Rong; Wang, Shuai-Hua; Zheng, Fa-Kun; Guo, Guo-Cong
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 15
• Pages of publication: 7335 - 7340
• a: 19.377 ± 0.005 Å
• b: 16.277 ± 0.004 Å
• c: 10.72 ± 0.003 Å
• α: 90°
• β: 101.384 ± 0.005°
• γ: 90°
• Cell volume: 3314.6 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No